#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.00 -0.38 -0.78 5.08 -2.05 0.68 114.58 117.13 2k0f h GLU 2 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 2 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2k0f h GLU 2 CO 0.00 0.00 0.04 1.49 -1.00 0.00 0.00 179.01 179.54 2k0f h GLU 3 N 0.00 0.15 -0.58 2.33 4.81 -2.05 0.34 114.58 119.58 2k0f h GLU 3 Ca 0.08 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 3 Cb 0.38 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2k0f h GLU 3 CO -0.00 0.10 0.01 1.96 -0.73 0.00 0.00 179.01 180.35 2k0f h GLN 4 N 0.15 1.00 0.13 1.92 4.20 -1.30 -2.15 115.11 119.07 2k0f h GLN 4 Ca 0.19 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2k0f h GLN 4 Cb 0.24 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2k0f h GLN 4 CO -0.28 0.97 -0.06 0.82 -0.67 0.00 0.00 178.83 179.61 2k0f h ILE 5 N 0.92 1.01 -0.92 2.54 1.08 -1.32 -0.36 117.51 120.45 2k0f h ILE 5 Ca 0.17 -0.63 0.10 0.00 -0.39 0.00 0.00 64.86 64.11 2k0f h ILE 5 Cb 0.51 1.40 -0.07 0.00 -3.07 0.00 0.00 36.82 35.60 2k0f h ILE 5 CO 0.03 0.15 0.59 0.00 -0.69 0.00 0.00 178.15 178.23 2k0f h ALA 6 N 0.33 1.62 0.14 1.87 0.00 -0.89 -1.06 119.26 121.27 2k0f h ALA 6 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 2k0f h ALA 6 Cb 0.38 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k0f h ALA 6 CO 0.03 0.18 -1.35 0.93 0.00 0.00 0.00 179.25 179.04 2k0f h GLU 7 N 0.91 0.30 -0.28 0.00 5.08 -1.14 -2.55 114.58 116.89 2k0f h GLU 7 Ca 0.44 -0.51 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 7 Cb 0.44 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2k0f h GLU 7 CO -0.20 1.22 0.01 0.74 -1.00 0.00 0.00 179.01 179.78 2k0f h PHE 8 N 0.08 0.01 -0.31 4.33 0.04 -0.98 -2.28 116.94 117.83 2k0f h PHE 8 Ca -0.18 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 2k0f h PHE 8 Cb 2.01 0.04 -0.02 0.00 2.20 0.00 0.00 35.95 40.18 2k0f h PHE 8 CO 0.07 -0.03 0.11 -0.22 -0.60 0.00 0.00 178.31 177.64 2k0f h LYS 9 N 0.10 0.44 0.00 1.51 3.64 -1.13 0.22 116.57 121.35 2k0f h LYS 9 Ca 0.13 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2k0f h LYS 9 Cb 0.17 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2k0f h LYS 9 CO -0.21 0.38 -0.25 1.49 -2.27 0.00 0.00 179.45 178.59 2k0f h GLU 10 N 0.44 0.00 0.26 1.90 4.57 -1.32 -2.53 114.58 117.90 2k0f h GLU 10 Ca 0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2k0f h GLU 10 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2k0f h GLU 10 CO -0.01 0.25 -0.12 0.00 -1.18 0.00 0.00 179.01 177.95 2k0f h ALA 11 N 1.75 -0.35 -1.09 2.92 0.00 -0.66 -3.38 119.26 118.45 2k0f h ALA 11 Ca -0.00 -0.16 0.30 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 11 Cb 0.77 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 2k0f h ALA 11 CO 0.03 -0.36 0.71 0.35 0.00 0.00 0.00 179.25 179.98 2k0f h PHE 12 N -1.01 0.57 -0.40 0.00 3.57 -0.41 -2.20 116.94 117.06 2k0f h PHE 12 Ca -0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2k0f h PHE 12 Cb 0.44 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2k0f h PHE 12 CO 0.04 0.01 0.05 0.77 -2.23 0.00 0.00 178.31 176.95 2k0f h SER 13 N 0.31 0.57 1.68 0.41 0.02 -1.63 -3.07 113.55 111.83 2k0f h SER 13 Ca 0.62 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 2k0f h SER 13 Cb 1.74 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.13 2k0f h SER 13 CO -0.29 0.61 0.00 -0.07 -1.14 0.00 0.00 176.83 175.94 2k0f h LEU 14 N 0.59 0.00 -0.10 5.07 3.38 -1.58 -2.88 115.31 119.79 2k0f h LEU 14 Ca 0.13 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 14 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2k0f h LEU 14 CO 0.01 0.00 -0.44 -0.26 0.09 0.00 0.00 178.44 177.83 2k0f h PHE 15 N 0.00 0.64 -3.41 1.13 0.04 -1.66 -3.42 116.94 110.26 2k0f h PHE 15 Ca 0.00 -0.28 -0.58 0.00 2.80 0.00 0.00 57.97 59.92 2k0f h PHE 15 Cb 0.84 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.81 2k0f h PHE 15 CO 0.00 1.04 0.76 0.34 -0.60 0.00 0.00 178.31 179.86 2k0f s ASP 16 N -6.59 6.82 0.00 2.17 -1.08 -1.09 -4.52 116.67 112.38 2k0f s ASP 16 Ca -0.13 0.85 0.30 0.00 -0.52 0.00 0.00 52.55 53.04 2k0f s ASP 16 Cb 0.05 -2.52 1.41 0.00 -1.46 0.00 0.00 42.92 40.41 2k0f s ASP 16 CO 0.81 -0.90 1.95 0.29 0.52 0.00 0.00 175.17 177.85 2k0f n LYS 17 N 6.91 1.31 -0.11 4.34 5.02 -1.26 -3.70 118.16 130.67 2k0f n LYS 17 Ca 0.10 -0.51 -0.19 0.00 -2.02 0.00 0.00 58.31 55.69 2k0f n LYS 17 Cb 0.48 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k0f n ASP 18 N -0.40 1.90 -0.35 4.39 8.00 -1.26 -5.03 116.55 123.80 2k0f n ASP 18 Ca 0.21 0.42 0.00 0.00 0.71 0.00 0.00 54.79 56.12 2k0f n ASP 18 Cb 0.25 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.41 0.96 0.11 0.44 0.00 -1.24 -5.01 105.19 101.86 2k0f n GLY 19 Ca -0.32 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.35 0.00 1.61 2.03 -1.96 -3.49 116.42 114.96 2k0f h ASP 20 Ca 0.00 -0.87 0.00 0.00 -0.73 0.00 0.00 57.03 55.43 2k0f h ASP 20 Cb 0.74 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 2k0f h ASP 20 CO 0.00 1.48 0.00 0.61 -1.03 0.00 0.00 179.24 180.30 2k0f n GLY 21 N 1.68 0.45 2.81 7.15 0.00 -1.26 -5.14 105.19 110.88 2k0f n GLY 21 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N 0.00 -0.04 -0.34 2.61 2.01 -1.26 -4.14 115.64 114.48 2k0f s THR 22 Ca 0.00 0.15 -0.20 0.00 0.31 0.00 0.00 61.69 61.96 2k0f s THR 22 Cb 0.00 -0.07 -0.00 0.00 0.01 0.00 0.00 72.50 72.44 2k0f s THR 22 CO 0.00 0.06 0.60 -0.63 -0.69 0.00 0.00 174.62 173.96 2k0f s ILE 23 N 0.76 4.94 0.49 1.82 1.01 -0.01 -4.89 121.20 125.33 2k0f s ILE 23 Ca -0.06 0.60 -0.04 0.00 0.00 0.00 0.00 60.65 61.15 2k0f s ILE 23 Cb -0.09 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 2k0f s ILE 23 CO -0.02 -0.22 0.78 0.42 0.00 0.00 0.00 174.94 175.89 2k0f s THR 24 N 2.58 4.45 0.35 2.92 -4.23 -1.26 -1.67 115.64 118.78 2k0f s THR 24 Ca 0.23 -0.03 0.34 0.00 -1.18 0.00 0.00 61.69 61.05 2k0f s THR 24 Cb -0.15 -3.69 0.36 0.00 1.34 0.00 0.00 72.50 70.36 2k0f s THR 24 CO 0.13 -0.64 2.10 0.71 -0.54 0.00 0.00 174.62 176.39 2k0f h THR 25 N 0.19 0.22 0.01 3.99 1.35 -1.97 -2.09 112.91 114.62 2k0f h THR 25 Ca -0.47 -0.43 -0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2k0f h THR 25 Cb 1.23 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2k0f h THR 25 CO 0.61 0.05 -0.01 0.11 -0.25 0.00 0.00 175.52 176.03 2k0f h LYS 26 N 0.00 -0.02 -0.52 4.72 1.57 -1.97 0.22 116.57 120.57 2k0f h LYS 26 Ca -0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 2k0f h LYS 26 Cb 0.34 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 2k0f h LYS 26 CO 0.01 0.64 0.04 0.93 -0.57 0.00 0.00 179.45 180.50 2k0f h GLU 27 N -0.70 0.15 0.07 3.15 5.08 -1.80 -1.81 114.58 118.73 2k0f h GLU 27 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 27 Cb 0.67 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2k0f h GLU 27 CO 0.00 0.10 -0.03 1.25 -1.00 0.00 0.00 179.01 179.33 2k0f h LEU 28 N 0.16 -0.08 -1.06 1.33 5.85 -1.45 -3.19 115.31 116.87 2k0f h LEU 28 Ca 0.26 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 2k0f h LEU 28 Cb 0.39 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2k0f h LEU 28 CO -0.40 -0.01 -0.21 1.23 -0.34 0.00 0.00 178.44 178.71 2k0f h GLY 29 N -0.14 0.00 1.22 3.75 0.00 -0.77 -0.22 103.07 106.91 2k0f h GLY 29 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2k0f h GLY 29 CO 0.02 0.00 0.39 -0.84 0.00 0.00 0.00 176.54 176.11 2k0f h THR 30 N 0.00 1.22 -0.20 4.70 2.02 -1.35 0.33 112.91 119.63 2k0f h THR 30 Ca -0.00 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.48 2k0f h THR 30 Cb 0.76 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2k0f h THR 30 CO 0.03 0.25 -0.38 0.58 0.37 0.00 0.00 175.52 176.37 2k0f h VAL 31 N 1.03 1.33 0.08 3.16 2.07 -1.03 -1.07 116.25 121.82 2k0f h VAL 31 Ca 0.26 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2k0f h VAL 31 Cb 0.04 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2k0f h VAL 31 CO -0.04 0.50 -0.27 0.24 0.02 0.00 0.00 177.57 178.02 2k0f h MET 32 N 0.28 -0.39 -0.83 1.57 2.86 -1.48 -2.94 114.93 114.01 2k0f h MET 32 Ca 0.01 0.03 0.20 0.00 -2.06 0.00 0.00 59.70 57.88 2k0f h MET 32 Cb 0.98 0.09 -0.14 0.00 0.06 0.00 0.00 31.60 32.59 2k0f h MET 32 CO 0.09 -0.26 0.09 -0.09 1.06 0.00 0.00 176.91 177.80 2k0f h ARG 33 N -0.40 0.13 -0.15 1.72 2.43 -0.50 0.10 114.38 117.71 2k0f h ARG 33 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k0f h ARG 33 Cb 0.40 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2k0f h ARG 33 CO -0.14 0.09 0.09 0.77 -1.51 0.00 0.00 179.97 179.27 2k0f h SER 34 N 0.13 0.17 0.05 -3.80 0.02 -1.21 -2.35 113.55 106.56 2k0f h SER 34 Ca 0.48 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.36 2k0f h SER 34 Cb 0.92 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.42 2k0f h SER 34 CO -0.69 0.13 -0.29 0.25 -1.14 0.00 0.00 176.83 175.10 2k0f h LEU 35 N 0.21 0.17 0.00 5.07 5.85 -0.94 -3.49 115.31 122.18 2k0f h LEU 35 Ca 0.06 -0.96 0.00 0.00 0.84 0.00 0.00 57.88 57.81 2k0f h LEU 35 Cb -0.01 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2k0f h LEU 35 CO -0.01 1.12 0.00 0.61 -0.34 0.00 0.00 178.44 179.82 2k0f n GLY 36 N 1.57 -2.18 3.73 3.75 0.00 0.20 -5.11 105.19 107.15 2k0f n GLY 36 Ca -0.11 0.73 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N -0.94 4.69 -0.37 1.61 0.74 -1.22 -4.76 119.66 119.41 2k0f s GLN 37 Ca 0.00 1.40 -0.25 0.00 0.05 0.00 0.00 55.36 56.55 2k0f s GLN 37 Cb 0.00 -3.36 0.01 0.00 1.10 0.00 0.00 33.01 30.76 2k0f s GLN 37 CO 0.00 0.27 0.91 -0.80 -0.55 0.00 0.00 175.29 175.11 2k0f s ASN 38 N -0.17 6.66 0.81 6.67 0.01 -1.26 -2.31 114.94 125.35 2k0f s ASN 38 Ca 0.45 0.55 -0.12 0.00 -0.71 0.00 0.00 52.86 53.03 2k0f s ASN 38 Cb -0.23 -2.46 0.08 0.00 0.41 0.00 0.00 41.25 39.05 2k0f s ASN 38 CO 0.29 -0.84 1.10 -2.16 -1.51 0.00 0.00 177.10 173.98 2k0f s PRO 39 N 3.43 1.96 -0.04 -0.60 0.04 -1.26 -5.03 135.00 133.50 2k0f s PRO 39 Ca 0.37 0.59 -0.20 0.00 0.04 0.00 0.00 61.00 61.80 2k0f s PRO 39 Cb -0.12 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2k0f s PRO 39 CO 0.18 -1.69 0.59 0.95 0.04 0.00 0.00 177.00 177.07 2k0f s THR 40 N -3.18 4.99 -0.05 1.26 -4.23 -1.26 -5.01 115.64 108.17 2k0f s THR 40 Ca 0.61 1.22 -0.23 0.00 -1.18 0.00 0.00 61.69 62.11 2k0f s THR 40 Cb -0.14 -3.92 -0.28 0.00 1.34 0.00 0.00 72.50 69.49 2k0f s THR 40 CO 0.54 0.37 0.93 1.05 -0.54 0.00 0.00 174.62 176.97 2k0f h GLU 41 N 6.05 0.27 -0.18 3.99 9.09 -1.96 -2.62 114.58 129.22 2k0f h GLU 41 Ca -0.44 -0.39 0.04 0.00 0.05 0.00 0.00 59.36 58.62 2k0f h GLU 41 Cb 1.20 0.14 -0.04 0.00 -1.65 0.00 0.00 28.75 28.39 2k0f h GLU 41 CO 0.72 1.15 -0.09 0.00 0.05 0.00 0.00 179.01 180.84 2k0f h ALA 42 N 0.13 0.06 0.00 1.06 0.00 -1.99 0.09 119.26 118.61 2k0f h ALA 42 Ca -0.10 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2k0f h ALA 42 Cb 1.43 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2k0f h ALA 42 CO 0.11 -0.52 -0.27 0.93 0.00 0.00 0.00 179.25 179.50 2k0f h GLU 43 N -0.07 0.00 -0.22 0.00 5.08 -1.99 -0.69 114.58 116.68 2k0f h GLU 43 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 43 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k0f h GLU 43 CO -0.23 0.27 0.10 1.25 -1.00 0.00 0.00 179.01 179.40 2k0f h LEU 44 N 0.00 0.29 -0.76 1.33 5.85 -0.63 -2.05 115.31 119.33 2k0f h LEU 44 Ca -0.00 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.59 2k0f h LEU 44 Cb 0.66 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2k0f h LEU 44 CO 0.04 0.35 0.50 -0.61 -0.34 0.00 0.00 178.44 178.38 2k0f h GLN 45 N 0.21 0.98 0.30 1.25 4.15 -0.67 -2.43 115.11 118.89 2k0f h GLN 45 Ca 0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2k0f h GLN 45 Cb 0.14 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 2k0f h GLN 45 CO -0.01 0.65 -0.45 0.22 -1.93 0.00 0.00 178.83 177.31 2k0f h ASP 46 N 1.01 -1.28 -0.80 -0.69 3.58 -1.01 -2.30 116.42 114.93 2k0f h ASP 46 Ca 0.29 0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.94 2k0f h ASP 46 Cb -0.08 0.45 -0.07 0.00 1.72 0.00 0.00 39.33 41.36 2k0f h ASP 46 CO -0.08 -0.56 0.46 0.00 -2.88 0.00 0.00 179.24 176.18 2k0f h MET 47 N -0.81 0.79 -0.77 0.28 -0.00 -1.42 -2.77 114.93 110.23 2k0f h MET 47 Ca -0.02 -0.05 0.11 0.00 -0.00 0.00 0.00 59.70 59.75 2k0f h MET 47 Cb 0.76 -0.18 -0.08 0.00 -0.00 0.00 0.00 31.60 32.10 2k0f h MET 47 CO -0.15 0.52 0.38 0.82 -0.00 0.00 0.00 176.91 178.48 2k0f h ILE 48 N 0.81 0.79 0.00 -0.10 2.04 -1.31 -3.01 117.51 116.73 2k0f h ILE 48 Ca 0.37 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2k0f h ILE 48 Cb 0.28 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2k0f h ILE 48 CO -0.22 0.11 0.00 -3.20 0.00 0.00 0.00 178.15 174.84 2k0f n ASN 49 N -4.87 0.00 0.08 1.72 5.15 -0.88 -1.13 115.26 115.33 2k0f n ASN 49 Ca 0.13 -0.12 -0.13 0.00 -0.60 0.00 0.00 54.58 53.87 2k0f n ASN 49 Cb 0.34 -0.11 -0.08 0.00 -0.53 0.00 0.00 39.78 39.39 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2k0f h GLU 50 N 0.00 -0.20 -0.38 1.20 4.81 -1.62 -3.31 114.58 115.07 2k0f h GLU 50 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 50 Cb 0.03 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 50 CO 0.00 0.14 0.00 1.33 -0.73 0.00 0.00 179.01 179.75 2k0f n VAL 51 N -5.02 0.56 -2.34 0.32 0.24 -0.28 -4.89 118.33 106.91 2k0f n VAL 51 Ca -0.09 -0.78 -0.41 0.00 -2.04 0.00 0.00 64.34 61.02 2k0f n VAL 51 Cb 0.23 0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -1.34 7.05 -0.05 -1.34 -1.08 -0.89 -4.69 116.67 114.32 2k0f s ASP 52 Ca 0.36 2.29 -0.00 0.00 -0.52 0.00 0.00 52.55 54.67 2k0f s ASP 52 Cb 0.21 -2.61 -0.00 0.00 -1.46 0.00 0.00 42.92 39.05 2k0f s ASP 52 CO 0.29 -0.40 0.03 0.00 0.52 0.00 0.00 175.17 175.61 2k0f h ALA 53 N 5.12 -0.03 0.00 3.66 0.00 -1.91 -3.39 119.26 122.72 2k0f h ALA 53 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k0f h ALA 53 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k0f h ALA 53 CO 0.74 -0.02 -0.02 -0.40 0.00 0.00 0.00 179.25 179.54 2k0f n ASP 54 N -3.46 0.07 -0.18 0.00 5.75 -1.26 -4.91 116.55 112.56 2k0f n ASP 54 Ca -0.00 0.47 0.00 0.00 -0.01 0.00 0.00 54.79 55.25 2k0f n ASP 54 Cb 0.01 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 55 N 1.49 0.58 0.71 6.12 0.00 -1.26 -5.04 105.19 107.79 2k0f n GLY 55 Ca 0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N -0.11 1.07 0.00 1.61 0.23 -1.26 -5.05 115.26 111.75 2k0f n ASN 56 Ca 0.00 0.17 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 2k0f n ASN 56 Cb 0.10 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.41 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 2.61 1.61 2.86 4.83 0.00 -1.26 -4.84 105.19 111.01 2k0f n GLY 57 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 1.33 -0.27 2.61 -4.23 -1.26 -4.62 115.64 107.19 2k0f s THR 58 Ca 0.00 -1.37 -0.24 0.00 -1.18 0.00 0.00 61.69 58.90 2k0f s THR 58 Cb 0.00 -1.80 -0.00 0.00 1.34 0.00 0.00 72.50 72.03 2k0f s THR 58 CO 0.00 -0.37 0.81 -0.51 -0.54 0.00 0.00 174.62 174.01 2k0f s ILE 59 N 1.44 4.82 0.72 2.99 2.07 -0.67 -4.80 121.20 127.77 2k0f s ILE 59 Ca 0.02 1.39 0.02 0.00 -1.41 0.00 0.00 60.65 60.67 2k0f s ILE 59 Cb -0.18 -4.13 0.14 0.00 0.13 0.00 0.00 42.46 38.42 2k0f s ILE 59 CO -0.12 -0.15 0.99 -1.81 -1.91 0.00 0.00 174.94 171.93 2k0f s ASP 60 N 1.47 4.34 0.06 4.50 1.01 -1.26 -0.83 116.67 125.96 2k0f s ASP 60 Ca 0.34 -0.58 -0.26 0.00 0.71 0.00 0.00 52.55 52.76 2k0f s ASP 60 Cb -0.15 0.27 -0.17 0.00 1.01 0.00 0.00 42.92 43.88 2k0f s ASP 60 CO 0.10 -1.88 1.57 0.15 0.21 0.00 0.00 175.17 175.31 2k0f h PHE 61 N -0.47 -0.27 0.00 4.23 3.57 -1.97 -1.08 116.94 120.95 2k0f h PHE 61 Ca -0.33 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2k0f h PHE 61 Cb 1.27 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2k0f h PHE 61 CO -0.15 -0.08 -0.01 -1.00 -2.23 0.00 0.00 178.31 174.84 2k0f h PRO 62 N -0.40 0.00 0.33 6.41 0.13 -1.97 -0.92 132.00 135.58 2k0f h PRO 62 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2k0f h PRO 62 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 2k0f h PRO 62 CO 0.05 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 178.59 2k0f h GLU 63 N 0.00 -0.43 -0.94 0.86 5.08 -1.83 -2.33 114.58 115.00 2k0f h GLU 63 Ca 0.00 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.64 2k0f h GLU 63 Cb 0.80 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.97 2k0f h GLU 63 CO 0.00 -0.10 0.02 0.35 -1.00 0.00 0.00 179.01 178.28 2k0f h PHE 64 N -0.83 -0.05 -0.64 4.33 3.57 -0.43 -1.22 116.94 121.67 2k0f h PHE 64 Ca -0.05 0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2k0f h PHE 64 Cb 0.52 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 2k0f h PHE 64 CO 0.03 -0.39 0.12 -0.07 -2.23 0.00 0.00 178.31 175.77 2k0f h LEU 65 N 0.04 1.01 -0.57 0.59 3.38 -1.23 0.27 115.31 118.79 2k0f h LEU 65 Ca 0.56 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 2k0f h LEU 65 Cb 1.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2k0f h LEU 65 CO -0.87 1.00 -0.67 0.74 0.09 0.00 0.00 178.44 178.74 2k0f h THR 66 N 0.97 1.41 0.12 0.22 2.02 -1.05 -0.61 112.91 115.99 2k0f h THR 66 Ca 0.20 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.24 2k0f h THR 66 Cb 0.42 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2k0f h THR 66 CO 0.01 0.63 -0.06 -0.03 0.37 0.00 0.00 175.52 176.44 2k0f h MET 67 N 0.16 -0.16 0.00 6.66 -1.53 -0.50 -3.05 114.93 116.52 2k0f h MET 67 Ca -0.01 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2k0f h MET 67 Cb 1.20 0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 32.28 2k0f h MET 67 CO 0.10 0.10 -0.01 0.52 0.14 0.00 0.00 176.91 177.76 2k0f h MET 68 N -0.40 0.00 -0.00 0.39 2.86 -0.59 -3.38 114.93 113.80 2k0f h MET 68 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 68 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2k0f h MET 68 CO 0.03 0.79 -0.02 0.00 1.06 0.00 0.00 176.91 178.77 2k0f n ALA 69 N -2.65 2.50 -2.46 6.32 0.00 -0.24 -4.74 120.51 119.25 2k0f n ALA 69 Ca -0.08 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 2k0f n ALA 69 Cb 0.38 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.63 4.41 -0.25 0.00 3.52 -1.15 -4.95 118.95 117.90 2k0f s ARG 70 Ca 0.26 1.70 -0.29 0.00 -0.13 0.00 0.00 55.73 57.27 2k0f s ARG 70 Cb 0.20 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 30.12 2k0f s ARG 70 CO 0.48 -0.33 1.41 0.15 -0.81 0.00 0.00 175.30 176.19 2k0f s LYS 71 N 1.60 3.93 0.91 5.12 -0.14 -1.26 -5.02 119.74 124.88 2k0f s LYS 71 Ca 0.57 1.47 -0.15 0.00 -1.36 0.00 0.00 55.97 56.50 2k0f s LYS 71 Cb -0.27 -3.92 0.16 0.00 -1.68 0.00 0.00 37.83 32.13 2k0f s LYS 71 CO 0.26 -1.11 1.28 -1.64 -0.76 0.00 0.00 175.35 173.38 2k0f s MET 72 N 4.23 1.07 0.45 1.68 -1.94 -1.26 -5.06 119.30 118.46 2k0f s MET 72 Ca 0.61 -0.24 -0.17 0.00 -1.71 0.00 0.00 55.69 54.19 2k0f s MET 72 Cb -0.20 -1.88 -0.09 0.00 2.01 0.00 0.00 34.83 34.67 2k0f s MET 72 CO 0.24 -2.15 0.91 -1.59 -0.01 0.00 0.00 175.02 172.42 2k0f s LYS 73 N -5.79 4.00 0.42 2.03 -2.85 -1.26 -4.90 119.74 111.40 2k0f s LYS 73 Ca 0.70 0.88 0.29 0.00 -1.00 0.00 0.00 55.97 56.85 2k0f s LYS 73 Cb -0.06 -2.23 1.46 0.00 -2.06 0.00 0.00 37.83 34.94 2k0f s LYS 73 CO 0.52 -0.11 1.89 -0.44 0.10 0.00 0.00 175.35 177.30 2k0f h ASP 74 N 1.41 0.00 0.57 0.03 3.32 -1.97 -1.80 116.42 117.97 2k0f h ASP 74 Ca -0.48 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.42 2k0f h ASP 74 Cb 1.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 2k0f h ASP 74 CO 0.62 0.00 -0.69 0.71 -1.72 0.00 0.00 179.24 178.16 2k0f h THR 75 N 0.00 1.46 0.08 0.35 1.35 -2.00 -0.79 112.91 113.35 2k0f h THR 75 Ca 0.00 -2.27 -0.17 0.00 -0.55 0.00 0.00 66.41 63.42 2k0f h THR 75 Cb 0.16 2.22 0.02 0.00 -1.73 0.00 0.00 68.15 68.81 2k0f h THR 75 CO 0.00 0.66 -0.72 0.44 -0.25 0.00 0.00 175.52 175.65 2k0f h ASP 76 N 0.07 0.50 -0.40 5.36 3.32 -1.74 -3.37 116.42 120.16 2k0f h ASP 76 Ca -0.01 -0.87 -0.03 0.00 0.02 0.00 0.00 57.03 56.15 2k0f h ASP 76 Cb 1.23 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 2k0f h ASP 76 CO 0.10 1.31 0.15 -1.28 -1.72 0.00 0.00 179.24 177.80 2k0f h SER 77 N -0.25 0.56 -0.31 6.45 0.87 -1.18 -1.10 113.55 118.60 2k0f h SER 77 Ca -0.11 -0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.30 2k0f h SER 77 Cb 1.49 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 2k0f h SER 77 CO 0.14 0.59 0.12 -0.08 -0.53 0.00 0.00 176.83 177.07 2k0f h GLU 78 N 0.50 0.26 -0.36 2.24 4.57 -1.36 -1.37 114.58 119.05 2k0f h GLU 78 Ca 0.13 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 2k0f h GLU 78 Cb 0.21 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2k0f h GLU 78 CO -0.01 0.17 0.10 1.49 -1.18 0.00 0.00 179.01 179.58 2k0f h GLU 79 N 0.27 0.52 -0.59 1.92 4.81 -1.67 -2.40 114.58 117.45 2k0f h GLU 79 Ca 0.13 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 79 Cb 0.09 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2k0f h GLU 79 CO -0.12 0.48 -0.05 1.49 -0.73 0.00 0.00 179.01 180.08 2k0f h GLU 80 N 0.52 1.07 -0.42 1.92 4.81 -0.62 -2.21 114.58 119.64 2k0f h GLU 80 Ca 0.12 -0.36 0.03 0.00 -0.13 0.00 0.00 59.36 59.02 2k0f h GLU 80 Cb 0.19 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2k0f h GLU 80 CO -0.01 1.07 0.23 0.82 -0.73 0.00 0.00 179.01 180.39 2k0f h ILE 81 N 0.96 1.01 -0.52 2.32 1.08 -0.76 -0.12 117.51 121.48 2k0f h ILE 81 Ca 0.16 -0.16 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2k0f h ILE 81 Cb 0.61 0.50 -0.06 0.00 -3.07 0.00 0.00 36.82 34.80 2k0f h ILE 81 CO 0.04 0.08 0.17 0.03 -0.69 0.00 0.00 178.15 177.78 2k0f h ARG 82 N 0.46 0.32 -0.13 2.37 3.08 -1.28 0.28 114.38 119.48 2k0f h ARG 82 Ca 0.18 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 2k0f h ARG 82 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2k0f h ARG 82 CO -0.10 0.21 -0.40 0.93 -1.07 0.00 0.00 179.97 179.54 2k0f h GLU 83 N 0.33 0.29 -0.34 0.04 4.39 -1.34 -1.55 114.58 116.40 2k0f h GLU 83 Ca 0.26 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 2k0f h GLU 83 Cb 0.30 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2k0f h GLU 83 CO -0.28 0.65 -0.30 0.00 -1.16 0.00 0.00 179.01 177.91 2k0f h ALA 84 N 1.34 0.83 -0.29 3.43 0.00 -0.69 -2.81 119.26 121.08 2k0f h ALA 84 Ca 0.02 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 2k0f h ALA 84 Cb 0.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2k0f h ALA 84 CO 0.06 0.64 -0.22 0.35 0.00 0.00 0.00 179.25 180.08 2k0f h PHE 85 N 0.62 0.60 0.00 0.00 3.04 -0.31 -2.12 116.94 118.77 2k0f h PHE 85 Ca 0.07 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.90 2k0f h PHE 85 Cb 0.82 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.18 2k0f h PHE 85 CO 0.04 0.72 0.00 -2.13 -2.02 0.00 0.00 178.31 174.92 2k0f n ARG 86 N -4.13 0.08 -0.01 1.11 0.63 -0.59 -1.46 116.66 112.28 2k0f n ARG 86 Ca -0.00 0.36 -0.17 0.00 -0.92 0.00 0.00 57.85 57.12 2k0f n ARG 86 Cb 0.39 -1.66 -0.06 0.00 0.45 0.00 0.00 32.46 31.58 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k0f h VAL 87 N 0.00 1.28 0.50 5.15 2.07 -1.13 -3.22 116.25 120.90 2k0f h VAL 87 Ca 0.00 -2.00 -0.02 0.00 0.82 0.00 0.00 66.70 65.49 2k0f h VAL 87 Cb 0.25 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2k0f h VAL 87 CO 0.00 0.63 -0.24 -0.26 0.02 0.00 0.00 177.57 177.72 2k0f h PHE 88 N 0.51 -0.62 -2.49 1.57 -1.00 -1.31 -3.45 116.94 110.15 2k0f h PHE 88 Ca -0.06 -0.01 -0.54 0.00 2.81 0.00 0.00 57.97 60.17 2k0f h PHE 88 Cb 1.42 0.20 -0.04 0.00 3.61 0.00 0.00 35.95 41.14 2k0f h PHE 88 CO 0.08 -0.38 1.22 0.34 -1.61 0.00 0.00 178.31 177.96 2k0f s ASP 89 N -4.30 5.78 -0.17 2.17 2.15 -0.53 -4.82 116.67 116.95 2k0f s ASP 89 Ca -0.10 0.50 -0.17 0.00 0.43 0.00 0.00 52.55 53.21 2k0f s ASP 89 Cb 0.01 -2.54 -0.22 0.00 -0.30 0.00 0.00 42.92 39.87 2k0f s ASP 89 CO 0.29 -1.94 0.30 0.50 -0.17 0.00 0.00 175.17 174.15 2k0f h LYS 90 N 12.77 0.10 0.16 4.34 1.63 -1.87 -3.42 116.57 130.28 2k0f h LYS 90 Ca -0.28 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.34 2k0f h LYS 90 Cb 1.13 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2k0f h LYS 90 CO 1.16 1.08 -0.08 0.38 -3.45 0.00 0.00 179.45 178.55 2k0f h ASP 91 N -0.63 -0.18 0.00 4.20 3.04 -1.95 -3.48 116.42 117.42 2k0f h ASP 91 Ca -0.36 -0.35 0.00 0.00 -3.24 0.00 0.00 57.03 53.08 2k0f h ASP 91 Cb 1.55 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.89 2k0f h ASP 91 CO -0.10 0.33 0.00 0.61 -2.04 0.00 0.00 179.24 178.04 2k0f n GLY 92 N 0.35 0.95 0.16 7.15 0.00 -1.26 -5.02 105.19 107.51 2k0f n GLY 92 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.45 0.00 1.61 -1.07 -1.94 -3.48 115.58 111.15 2k0f h ASN 93 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 56.30 56.04 2k0f h ASN 93 Cb 0.00 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 36.11 2k0f h ASN 93 CO 0.00 1.09 0.00 0.61 0.07 0.00 0.00 177.43 179.20 2k0f n GLY 94 N 0.72 0.85 2.95 9.14 0.00 -1.26 -5.06 105.19 112.53 2k0f n GLY 94 Ca -0.05 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 1.54 -0.28 1.61 2.02 -1.26 -4.68 117.35 114.30 2k0f s TYR 95 Ca 0.00 -0.74 -0.29 0.00 -0.37 0.00 0.00 57.07 55.67 2k0f s TYR 95 Cb 0.00 -1.23 -0.00 0.00 -0.40 0.00 0.00 41.96 40.33 2k0f s TYR 95 CO 0.00 -0.47 1.28 0.42 -1.57 0.00 0.00 175.55 175.21 2k0f s ILE 96 N 1.43 4.19 0.65 2.71 1.01 0.84 -4.77 121.20 127.25 2k0f s ILE 96 Ca 0.00 1.36 0.04 0.00 0.00 0.00 0.00 60.65 62.04 2k0f s ILE 96 Cb -0.13 -4.15 0.10 0.00 0.01 0.00 0.00 42.46 38.29 2k0f s ILE 96 CO -0.06 -0.42 0.89 -0.94 0.00 0.00 0.00 174.94 174.42 2k0f s SER 97 N 2.60 4.71 0.43 3.58 1.04 -1.26 -0.04 113.70 124.77 2k0f s SER 97 Ca 0.55 -0.55 0.23 0.00 0.48 0.00 0.00 55.95 56.67 2k0f s SER 97 Cb -0.17 0.07 0.90 0.00 0.10 0.00 0.00 66.02 66.92 2k0f s SER 97 CO 0.21 -1.60 1.82 0.00 0.98 0.00 0.00 173.24 174.65 2k0f h ALA 98 N -0.19 1.02 0.25 5.32 0.00 -1.97 -0.14 119.26 123.55 2k0f h ALA 98 Ca -0.34 -0.22 -0.34 0.00 0.00 0.00 0.00 54.91 54.01 2k0f h ALA 98 Cb 1.28 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 19.06 2k0f h ALA 98 CO 0.41 0.30 -1.52 0.00 0.00 0.00 0.00 179.25 178.44 2k0f h ALA 99 N 1.76 -0.12 -0.40 0.00 0.00 -1.97 -2.02 119.26 116.51 2k0f h ALA 99 Ca -0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 54.91 53.95 2k0f h ALA 99 Cb 0.76 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2k0f h ALA 99 CO 0.03 0.74 -0.01 0.93 0.00 0.00 0.00 179.25 180.94 2k0f h GLU 100 N 0.14 0.64 -0.43 0.00 5.08 -1.86 -1.88 114.58 116.28 2k0f h GLU 100 Ca -0.27 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2k0f h GLU 100 Cb 2.17 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.31 2k0f h GLU 100 CO 0.27 0.67 0.23 1.25 -1.00 0.00 0.00 179.01 180.43 2k0f h LEU 101 N 0.61 0.54 -0.94 1.33 5.85 -0.89 -0.74 115.31 121.07 2k0f h LEU 101 Ca 0.12 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2k0f h LEU 101 Cb 0.40 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2k0f h LEU 101 CO 0.02 0.48 0.60 0.03 -0.34 0.00 0.00 178.44 179.23 2k0f h ARG 102 N 0.56 1.06 -0.65 1.25 3.08 -1.37 -2.81 114.38 115.51 2k0f h ARG 102 Ca 0.15 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 2k0f h ARG 102 Cb 0.06 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 2k0f h ARG 102 CO -0.02 0.70 0.20 1.25 -1.07 0.00 0.00 179.97 181.03 2k0f h HIS 103 N 1.09 1.01 -0.02 3.04 2.76 -0.65 -0.11 115.15 122.28 2k0f h HIS 103 Ca 0.40 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.48 2k0f h HIS 103 Cb 0.15 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 2k0f h HIS 103 CO -0.01 0.81 -0.00 0.28 -1.30 0.00 0.00 177.93 177.70 2k0f h VAL 104 N 0.95 1.29 -0.49 5.26 2.07 -1.11 -3.32 116.25 120.90 2k0f h VAL 104 Ca 0.21 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2k0f h VAL 104 Cb 0.28 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2k0f h VAL 104 CO -0.01 0.23 0.16 0.24 0.02 0.00 0.00 177.57 178.21 2k0f h MET 105 N -0.33 0.76 0.00 1.57 2.07 -1.11 -1.55 114.93 116.34 2k0f h MET 105 Ca 0.00 -0.16 -0.14 0.00 -2.07 0.00 0.00 59.70 57.33 2k0f h MET 105 Cb 0.38 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 2k0f h MET 105 CO 0.00 0.71 -0.67 1.15 1.07 0.00 0.00 176.91 179.18 2k0f h THR 106 N 0.66 1.31 0.00 2.22 2.02 -1.03 -0.16 112.91 117.94 2k0f h THR 106 Ca 0.16 -2.42 -0.11 0.00 0.77 0.00 0.00 66.41 64.81 2k0f h THR 106 Cb 0.26 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 2k0f h THR 106 CO -0.01 0.65 -0.97 0.78 0.37 0.00 0.00 175.52 176.35 2k0f h ASN 107 N 0.00 0.00 0.00 4.18 2.35 -1.55 -3.38 115.58 117.18 2k0f h ASN 107 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k0f h ASN 107 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 2k0f h ASN 107 CO 0.09 0.42 0.00 -0.11 -1.65 0.00 0.00 177.43 176.18 2k0f n LEU 108 N -2.98 0.63 0.00 1.61 7.94 -0.62 -4.75 117.00 118.83 2k0f n LEU 108 Ca -0.03 0.53 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 2k0f n LEU 108 Cb 0.74 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.37 2k0f n LEU 108 CO 0.41 -0.32 0.00 0.61 -1.11 0.00 0.00 177.39 176.98 2k0f n GLY 109 N 0.92 0.00 3.10 -3.96 0.00 -0.21 -4.65 105.19 100.40 2k0f n GLY 109 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 2.70 -0.85 1.61 0.41 -0.42 -5.01 118.70 117.15 2k0f s GLU 110 Ca 0.00 -0.99 -0.25 0.00 -0.41 0.00 0.00 54.97 53.33 2k0f s GLU 110 Cb 0.00 -2.66 0.05 0.00 -1.78 0.00 0.00 34.13 29.74 2k0f s GLU 110 CO 0.00 -0.33 1.30 0.21 -0.49 0.00 0.00 175.26 175.95 2k0f s LYS 111 N 1.24 3.36 0.30 1.61 2.20 -1.26 -3.28 119.74 123.90 2k0f s LYS 111 Ca 0.00 -0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 54.59 2k0f s LYS 111 Cb -0.15 -4.68 -0.13 0.00 -1.51 0.00 0.00 37.83 31.37 2k0f s LYS 111 CO -0.10 -2.11 1.37 1.28 -0.36 0.00 0.00 175.35 175.43 2k0f n LEU 112 N 8.84 3.52 -4.88 5.43 4.77 -1.26 -5.05 117.00 128.37 2k0f n LEU 112 Ca 0.15 1.18 -0.32 0.00 -0.03 0.00 0.00 56.01 56.99 2k0f n LEU 112 Cb 0.49 -1.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 2k0f n LEU 112 CO 0.67 -0.39 0.22 0.42 -1.33 0.00 0.00 177.39 176.98 2k0f s THR 113 N -0.61 4.94 0.32 -5.08 -4.23 -1.26 -4.98 115.64 104.74 2k0f s THR 113 Ca 0.61 0.43 0.37 0.00 -1.18 0.00 0.00 61.69 61.92 2k0f s THR 113 Cb -0.59 -3.63 0.39 0.00 1.34 0.00 0.00 72.50 70.01 2k0f s THR 113 CO 0.56 -0.10 2.13 0.44 -0.54 0.00 0.00 174.62 177.11 2k0f h ASP 114 N 2.44 0.00 -0.37 3.99 3.32 -2.00 0.26 116.42 124.06 2k0f h ASP 114 Ca -0.47 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 2k0f h ASP 114 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 2k0f h ASP 114 CO 0.69 0.00 -0.06 1.05 -1.72 0.00 0.00 179.24 179.20 2k0f h GLU 115 N 0.00 0.79 0.13 3.56 4.11 -1.99 -2.38 114.58 118.80 2k0f h GLU 115 Ca 0.00 -0.24 -0.29 0.00 0.07 0.00 0.00 59.36 58.90 2k0f h GLU 115 Cb 0.14 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.34 2k0f h GLU 115 CO 0.00 0.83 -1.25 0.93 0.07 0.00 0.00 179.01 179.60 2k0f h GLU 116 N 0.72 0.48 0.69 1.06 5.08 -0.89 -2.31 114.58 119.43 2k0f h GLU 116 Ca 0.13 -0.70 -0.03 0.00 -1.00 0.00 0.00 59.36 57.76 2k0f h GLU 116 Cb 0.53 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2k0f h GLU 116 CO 0.03 1.31 -0.42 0.28 -1.00 0.00 0.00 179.01 179.21 2k0f h VAL 117 N 0.19 0.15 -0.81 3.13 2.07 -1.38 -0.63 116.25 118.97 2k0f h VAL 117 Ca -0.17 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.51 2k0f h VAL 117 Cb 1.93 0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 31.75 2k0f h VAL 117 CO 0.23 0.00 0.36 -0.78 0.02 0.00 0.00 177.57 177.39 2k0f h ASP 118 N -1.05 0.36 -0.63 0.57 3.58 -1.52 -1.32 116.42 116.42 2k0f h ASP 118 Ca -0.09 0.11 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 2k0f h ASP 118 Cb 0.84 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 2k0f h ASP 118 CO 0.09 0.12 0.02 -0.08 -2.88 0.00 0.00 179.24 176.51 2k0f h GLU 119 N 0.49 1.09 -0.24 0.28 4.81 -1.32 -2.36 114.58 117.33 2k0f h GLU 119 Ca 0.46 -0.34 -0.19 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 119 Cb 0.72 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2k0f h GLU 119 CO -0.42 1.05 -0.59 0.52 -0.73 0.00 0.00 179.01 178.84 2k0f h MET 120 N 1.00 0.78 0.06 1.92 2.86 -0.86 -1.26 114.93 119.44 2k0f h MET 120 Ca 0.18 -0.52 0.02 0.00 -2.06 0.00 0.00 59.70 57.32 2k0f h MET 120 Cb 0.54 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 2k0f h MET 120 CO 0.03 1.14 -0.22 0.82 1.06 0.00 0.00 176.91 179.74 2k0f h ILE 121 N 0.59 0.50 0.00 -1.22 1.08 -1.28 -0.69 117.51 116.49 2k0f h ILE 121 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 2k0f h ILE 121 Cb 1.18 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 2k0f h ILE 121 CO 0.12 0.00 -0.37 -0.09 -0.69 0.00 0.00 178.15 177.12 2k0f h ARG 122 N -0.38 0.00 0.18 2.37 2.43 -1.33 0.08 114.38 117.73 2k0f h ARG 122 Ca 0.04 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2k0f h ARG 122 Cb 0.43 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2k0f h ARG 122 CO -0.16 0.37 -0.30 1.49 -1.51 0.00 0.00 179.97 179.87 2k0f h GLU 123 N 0.00 -0.53 0.34 0.20 4.81 -1.05 -3.35 114.58 115.00 2k0f h GLU 123 Ca -0.00 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 123 Cb 0.88 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2k0f h GLU 123 CO 0.05 -0.36 -0.16 0.00 -0.73 0.00 0.00 179.01 177.81 2k0f h ALA 124 N 0.09 -0.77 -2.43 2.92 0.00 -0.51 -3.45 119.26 115.11 2k0f h ALA 124 Ca 0.02 -0.10 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 2k0f h ALA 124 Cb 0.55 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k0f h ALA 124 CO -0.13 -0.73 0.89 0.34 0.00 0.00 0.00 179.25 179.62 2k0f s ASP 125 N -3.48 6.74 -0.24 0.00 2.15 -0.04 -4.82 116.67 116.98 2k0f s ASP 125 Ca -0.07 2.30 -0.14 0.00 0.43 0.00 0.00 52.55 55.07 2k0f s ASP 125 Cb 0.01 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 39.96 2k0f s ASP 125 CO 0.20 -0.79 -0.34 -0.38 -0.17 0.00 0.00 175.17 173.69 2k0f n ILE 126 N 4.60 1.47 0.11 4.11 5.41 -1.26 -4.68 119.36 129.11 2k0f n ILE 126 Ca 0.14 -0.24 -0.13 0.00 1.00 0.00 0.00 62.75 63.52 2k0f n ILE 126 Cb 0.42 -1.98 -0.08 0.00 -0.71 0.00 0.00 39.64 37.29 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.96 -0.18 0.00 4.38 3.04 -1.95 -3.48 116.42 117.28 2k0f h ASP 127 Ca -0.50 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.22 2k0f h ASP 127 Cb 1.43 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.76 2k0f h ASP 127 CO -0.30 -0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.46 2k0f n GLY 128 N -0.92 1.71 0.00 7.15 0.00 -1.26 -5.01 105.19 106.86 2k0f n GLY 128 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.07 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.00 0.00 1.61 5.75 -1.26 -4.87 116.55 117.78 2k0f n ASP 129 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 2k0f n ASP 129 Cb 0.00 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.39 0.82 3.18 6.12 0.00 -1.26 -5.04 105.19 110.40 2k0f n GLY 130 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 2k0f n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 131 N -0.31 0.86 -0.19 1.61 -2.07 -1.26 -4.47 119.66 113.84 2k0f s GLN 131 Ca 0.00 -1.17 -0.07 0.00 -1.82 0.00 0.00 55.36 52.30 2k0f s GLN 131 Cb 0.00 -0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 31.33 2k0f s GLN 131 CO 0.00 0.08 0.06 0.08 -1.32 0.00 0.00 175.29 174.19 2k0f s VAL 132 N -2.46 4.66 0.38 3.63 1.01 0.95 -4.83 120.40 123.74 2k0f s VAL 132 Ca 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2k0f s VAL 132 Cb -0.03 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.32 2k0f s VAL 132 CO 0.00 0.44 0.53 -0.46 0.00 0.00 0.00 175.10 175.62 2k0f n ASN 133 N 3.72 0.99 0.03 3.32 0.23 -1.26 -0.11 115.26 122.19 2k0f n ASN 133 Ca -0.17 -1.77 -0.13 0.00 -0.53 0.00 0.00 54.58 51.99 2k0f n ASN 133 Cb 0.52 -0.32 -0.08 0.00 -2.08 0.00 0.00 39.78 37.82 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.25 -0.04 -0.73 -2.53 3.20 -1.99 -1.64 116.97 112.99 2k0f h TYR 134 Ca -0.18 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.80 2k0f h TYR 134 Cb 0.72 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 2k0f h TYR 134 CO 0.00 0.18 0.48 0.93 -1.64 0.00 0.00 178.16 178.11 2k0f h GLU 135 N -0.26 0.54 0.00 1.82 5.08 -1.99 -0.26 114.58 119.50 2k0f h GLU 135 Ca -0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 135 Cb 0.24 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2k0f h GLU 135 CO 0.01 0.35 -0.42 0.93 -1.00 0.00 0.00 179.01 178.88 2k0f h GLU 136 N 0.55 0.00 0.20 2.33 5.08 -1.86 -2.43 114.58 118.45 2k0f h GLU 136 Ca 0.34 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 136 Cb 0.59 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.86 2k0f h GLU 136 CO -0.12 0.34 -1.40 0.35 -1.00 0.00 0.00 179.01 177.18 2k0f h PHE 137 N 0.00 0.75 -0.02 4.33 3.57 -0.76 -2.39 116.94 122.42 2k0f h PHE 137 Ca -0.01 -0.55 -0.01 0.00 3.53 0.00 0.00 57.97 60.93 2k0f h PHE 137 Cb 1.28 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 2k0f h PHE 137 CO 0.00 1.45 -0.03 0.28 -2.23 0.00 0.00 178.31 177.78 2k0f h VAL 138 N 0.11 1.43 -0.36 1.41 2.07 -1.13 -2.42 116.25 117.37 2k0f h VAL 138 Ca -0.21 -1.31 0.08 0.00 0.82 0.00 0.00 66.70 66.08 2k0f h VAL 138 Cb 2.08 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 34.11 2k0f h VAL 138 CO 0.24 0.35 0.25 -0.61 0.02 0.00 0.00 177.57 177.82 2k0f h GLN 139 N -0.48 0.14 0.19 1.57 5.75 -1.55 -0.90 115.11 119.84 2k0f h GLN 139 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2k0f h GLN 139 Cb 0.58 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.10 2k0f h GLN 139 CO 0.01 0.09 -0.09 1.98 -2.65 0.00 0.00 178.83 178.16 2k0f h MET 140 N 0.14 -0.25 0.00 1.69 4.05 -1.42 -3.35 114.93 115.78 2k0f h MET 140 Ca 0.17 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.49 2k0f h MET 140 Cb 0.48 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 2k0f h MET 140 CO -0.02 0.12 -0.54 0.52 0.23 0.00 0.00 176.91 177.23 2k0f h MET 141 N -0.70 0.00 0.00 0.39 2.86 -0.82 -3.51 114.93 113.15 2k0f h MET 141 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2k0f h MET 141 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2k0f h MET 141 CO 0.04 0.54 0.00 2.41 1.06 0.00 0.00 176.91 180.96